2-(2,3-dihydro-1H-inden-1-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one

• ChemBase ID: 847840
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: C(=O)(N1CCC2(OCCC2)CC1)CC1c2c(CC1)cccc2
• Canonical SMILES: O=C(N1CCC2(CC1)CCCO2)CC1CCc2c1cccc2
• InChI: InChI=1S/C19H25NO2/c21-18(14-16-7-6-15-4-1-2-5-17(15)16)20-11-9-19(10-12-20)8-3-13-22-19/h1-2,4-5,16H,3,6-14H2
• InChIKey: NDRIBYHSFSDDNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}ethanone
• Synonyms: 8-(2,3-dihydro-1H-inden-1-ylacetyl)-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Log P: 2.3234391
• Molar Refractivity: 87.2759 cm^3
• Polarizability: 33.903255 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.323439
• LogD (pH = 7.4): 2.3234391

供应商提供(Chembridge)

• Log P: 3.04
• LOG S: -3.98
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0